(2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide

C12H17N5O3S — CID 100632157

IUPAC(2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide
SMILESCc1nc2ccc(NS(=O)(=O)[C@H](C)C(=O)N(C)C)cn2n1
InChIInChI=1S/C12H17N5O3S/c1-8(12(18)16(3)4)21(19,20)15-10-5-6-11-13-9(2)14-17(11)7-10/h5-8,15H,1-4H3/t8-/m1/s1
InChIKeyPIWASKDHEWBOAE-MRVPVSSYSA-N
MW311.37 g/mol
LogP0.26
Rot. Bonds4

About (2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide

(2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide (PubChem CID 100632157) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide
PubChem CID100632157
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name(2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide
SMILESCc1nc2ccc(NS(=O)(=O)[C@H](C)C(=O)N(C)C)cn2n1
InChIInChI=1S/C12H17N5O3S/c1-8(12(18)16(3)4)21(19,20)15-10-5-6-11-13-9(2)14-17(11)7-10/h5-8,15H,1-4H3/t8-/m1/s1
InChIKeyPIWASKDHEWBOAE-MRVPVSSYSA-N
XLogP0.26
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide (CID 100632157) is (2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide is Cc1nc2ccc(NS(=O)(=O)[C@H](C)C(=O)N(C)C)cn2n1.
What is the InChIKey of (2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide?
The InChIKey is PIWASKDHEWBOAE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-8(12(18)16(3)4)21(19,20)15-10-5-6-11-13-9(2)14-17(11)7-10/h5-8,15H,1-4H3/t8-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide?
(2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide has a molecular weight of 311.37 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide is sourced from PubChem (CID 100632157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).